Compound Detail
CHEMBL4210989
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COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C=C(OC(C)=O)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Basic Information
| ChEMBL ID | CHEMBL4210989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBMXCJIQOQYFCL-BESCZGKSSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
524.7
MW (Da)
7.20
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.28
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28753294 | 10.1021/acs.jnatprod.7b00271 | Unchecked | 1 |
| 28753294 | 10.1021/acs.jnatprod.7b00271 | Signal transducer and activator of transcription 3 | 1 |
| 28753294 | 10.1021/acs.jnatprod.7b00271 | Nuclear factor erythroid 2-related factor 2 | 1 |
Data from ChEMBL 36 via Core Engine